TY - JOUR AU - MUMPUNI, ESTI AU - WIDARSA, ARGUN AU - SUSILAWATI, YANTI AU - OISAN, OISAN AU - NURROCHMAD, ARIEF AU - PRANOWO, HARNO DWI AU - JENIE, UMAR ANGGARA AU - ISTYASTONO, ENADE PERDANA PY - 2014 TI - Construction and Validation of Virtual Screening Based on Code Structure of PDB3MQE, 3NTG, and 3LN0 To Discover Cyclooxygenase Inhibitor-2 (COX-2) JF - JURNAL ILMU KEFARMASIAN INDONESIA; Vol 12 No 1 (2014): JIFI KW - N2 - Cyclooxygenase-2 (COX-2) inhibitors are high demand drugs in the market. However, available COX-2 inhibitors nowadays have many side effects. Therefore, there is still a need to develop more potent selective COX-2 inhibitors and one of the method that has been prove the effectivity and eficiency for new drugs research is in silico. Structure-based virtual screening (SBVS) protocols were developed to find COX-2 inhibitors using the Protein-Ligand ANT System (PLANTS) docking software, SPORES, BKChem and Open Babel. The directory of useful decoys (DUD) dataset for COX-2 was used to validate the protocols retrospectively; the DUD consist of 426 known COX-2 inhibitors and 13289 decoys. Based on criteria value of EF20% and EFmax used in the article from Huang et al (2006) and Yuniarti et al (2011), two validated protocol, AYO_COX2_v.1.1 and AYO_COX2_v.1.2 , showed good results UR - http://jifi.farmasi.univpancasila.ac.id/index.php/jifi/article/view/196